ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005352
RECORD_TITLE: (Z,Z)-9,15-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (Z,Z)-9,15-OCTADECADIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₄O₂
CH$EXACT_MASS: 294.25588
CH$SMILES: CCC([H])=C([H])CCCCC([H])=C([H])CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4-,11-10-
CH$LINK: INCHIKEY OTROKOXHZSGHEN-NKIGAPEHSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00ls-9300000000-ffa3df152af9efef123b
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  41 14.48 145
  42 1.64 16
  43 10.06 101
  44 2.38 24
  54 16.18 162
  55 29.58 296
  56 3.1 31
  57 5.3 53
  59 2.5 25
  66 4.14 41
  67 67.91 679
  69 34.48 345
  70 1.06 11
  73 1.61 16
  74 8.37 84
  79 4.13 41
  80 11.24 112
  81 64.45 645
  82 99.99 999
  83 23.21 232
  84 1.26 13
  85 1.52 15
  87 7.18 72
  93 4.26 43
  94 6.81 68
  95 57.54 575
  96 43.52 435
  97 13.58 136
  98 1.13 11
  99 2.22 22
  101 2 20
  105 1.32 13
  107 3.87 39
  108 4.3 43
  109 24.7 247
  110 36.77 368
  111 10.9 109
  115 1.36 14
  119 1.46 15
  121 9.17 92
  122 4.68 47
  123 19.15 192
  124 16.39 164
  125 7.75 78
  129 2.66 27
  133 1.2 12
  135 5.49 55
  136 5.17 52
  137 9.3 93
  138 6.72 67
  139 1.75 18
  143 3.22 32
  149 2.74 27
  150 4.04 40
  151 2.18 22
  157 4.37 44
  163 1.88 19
  164 1.46 15
  178 3.24 32
  205 2.62 26
  220 1.12 11
  238 3.22 32
  251 1.02 10
  252 1.96 20
  263 4.49 45
  294 6.99 70
  295 1.15 12
//